5-[3-benzylidene-6-(4-ethenylfuran-2-yl)-2H-pyridin-4-yl]-3-methyl-1,2-oxazole

C22H18N2O2 — CID 123145167

IUPAC5-[3-benzylidene-6-(4-ethenylfuran-2-yl)-2H-pyridin-4-yl]-3-methyl-1,2-oxazole
SMILESC=Cc1coc(C2=NCC(=Cc3ccccc3)C(c3cc(C)no3)=C2)c1
InChIInChI=1S/C22H18N2O2/c1-3-16-11-22(25-14-16)20-12-19(21-9-15(2)24-26-21)18(13-23-20)10-17-7-5-4-6-8-17/h3-12,14H,1,13H2,2H3
InChIKeyYFNWKBSVCSXNHI-UHFFFAOYSA-N
MW342.40 g/mol
LogP5.19
Rot. Bonds4

About 5-[3-benzylidene-6-(4-ethenylfuran-2-yl)-2H-pyridin-4-yl]-3-methyl-1,2-oxazole

5-[3-benzylidene-6-(4-ethenylfuran-2-yl)-2H-pyridin-4-yl]-3-methyl-1,2-oxazole (PubChem CID 123145167) has the molecular formula C22H18N2O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 5-[3-benzylidene-6-(4-ethenylfuran-2-yl)-2H-pyridin-4-yl]-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-[3-benzylidene-6-(4-ethenylfuran-2-yl)-2H-pyridin-4-yl]-3-methyl-1,2-oxazole
PubChem CID123145167
Molecular FormulaC22H18N2O2
Molecular Weight342.40 g/mol
Exact Mass342.14
IUPAC Name5-[3-benzylidene-6-(4-ethenylfuran-2-yl)-2H-pyridin-4-yl]-3-methyl-1,2-oxazole
SMILESC=Cc1coc(C2=NCC(=Cc3ccccc3)C(c3cc(C)no3)=C2)c1
InChIInChI=1S/C22H18N2O2/c1-3-16-11-22(25-14-16)20-12-19(21-9-15(2)24-26-21)18(13-23-20)10-17-7-5-4-6-8-17/h3-12,14H,1,13H2,2H3
InChIKeyYFNWKBSVCSXNHI-UHFFFAOYSA-N
XLogP5.19
TPSA51.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.40
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Disoxaril
CID 55717
Win 52035
CID 1786
Win 56590
CID 3082640
Isoxazole, 5-(7-(4-(4,5-dihydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methyl-
CID 1790
3-methyl-5-(7-(4-((4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenoxy)heptyl)-1,2-oxazole
CID 5272139
5-(5-(4-(5-Hydro-4-methyl-2-oxazolyl)phenoxy)pentyl)-3-methyl isoxazole
CID 5289566
3-Methyl-5-[5-[4-(4-methyl-4,5-dihydrooxazol-2-yl)phenoxy]pentyl]isoxazole
CID 1787
Compound III(S)
CID 441049
Isoxazole, 5-(7-(4-(4,5-dihydro-4,4-dimethyl-2-oxazolyl)phenoxy)heptyl)-3-methyl-
CID 515336
Isoxazole, 5-(5-(4-(4,5-dihydro-2-oxazolyl)-2-fluorophenoxy)pentyl)-3-methyl-
CID 5271222
Isoxazole, 5-(6-(4-(4,5-dihydro-2-oxazolyl)phenoxy)hexyl)-3-methyl-
CID 5272156
3-methyl-5-[7-[4-[(5S)-5-methyl-4,5-dihydro-1,3-oxazol-2-yl]phenoxy]heptyl]-1,2-oxazole
CID 10043831

Frequently Asked Questions

What is the IUPAC name of 5-[3-benzylidene-6-(4-ethenylfuran-2-yl)-2H-pyridin-4-yl]-3-methyl-1,2-oxazole?
The IUPAC name of 5-[3-benzylidene-6-(4-ethenylfuran-2-yl)-2H-pyridin-4-yl]-3-methyl-1,2-oxazole (CID 123145167) is 5-[3-benzylidene-6-(4-ethenylfuran-2-yl)-2H-pyridin-4-yl]-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-[3-benzylidene-6-(4-ethenylfuran-2-yl)-2H-pyridin-4-yl]-3-methyl-1,2-oxazole?
The canonical SMILES for 5-[3-benzylidene-6-(4-ethenylfuran-2-yl)-2H-pyridin-4-yl]-3-methyl-1,2-oxazole is C=Cc1coc(C2=NCC(=Cc3ccccc3)C(c3cc(C)no3)=C2)c1.
What is the InChIKey of 5-[3-benzylidene-6-(4-ethenylfuran-2-yl)-2H-pyridin-4-yl]-3-methyl-1,2-oxazole?
The InChIKey is YFNWKBSVCSXNHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2/c1-3-16-11-22(25-14-16)20-12-19(21-9-15(2)24-26-21)18(13-23-20)10-17-7-5-4-6-8-17/h3-12,14H,1,13H2,2H3.
What are the key properties of 5-[3-benzylidene-6-(4-ethenylfuran-2-yl)-2H-pyridin-4-yl]-3-methyl-1,2-oxazole?
5-[3-benzylidene-6-(4-ethenylfuran-2-yl)-2H-pyridin-4-yl]-3-methyl-1,2-oxazole has a molecular weight of 342.40 g/mol, XLogP of 5.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-benzylidene-6-(4-ethenylfuran-2-yl)-2H-pyridin-4-yl]-3-methyl-1,2-oxazole is sourced from PubChem (CID 123145167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).